tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate

C18H23N3O4 — CID 174779366

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2ccccc12
InChIInChI=1S/C18H23N3O4/c1-17(2,3)24-15(22)21(16(23)25-18(4,5)6)14-12-9-7-8-10-13(12)19-11-20-14/h7-11H,1-6H3
InChIKeyRUFVHJKAFGASQW-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.31
Rot. Bonds1

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate (PubChem CID 174779366) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate
PubChem CID174779366
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2ccccc12
InChIInChI=1S/C18H23N3O4/c1-17(2,3)24-15(22)21(16(23)25-18(4,5)6)14-12-9-7-8-10-13(12)19-11-20-14/h7-11H,1-6H3
InChIKeyRUFVHJKAFGASQW-UHFFFAOYSA-N
XLogP4.31
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate (CID 174779366) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2ccccc12.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate?
The InChIKey is RUFVHJKAFGASQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-17(2,3)24-15(22)21(16(23)25-18(4,5)6)14-12-9-7-8-10-13(12)19-11-20-14/h7-11H,1-6H3.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate has a molecular weight of 345.40 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate is sourced from PubChem (CID 174779366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).